ChemSpider 2D Image | 4-Nitro-D-(2,3,5,6-~2~H_4_)phenylalanine | C9H6D4N2O4

4-Nitro-D-(2,3,5,6-2H4)phenylalanine

  • Molecular FormulaC9H6D4N2O4
  • Average mass214.211 Da
  • Monoisotopic mass214.089157 Da
  • ChemSpider ID111314078

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Nitro-D-(2,3,5,6-2H4)phenylalanin [German] [ACD/IUPAC Name]
4-Nitro-D-(2,3,5,6-2H4)phenylalanine [ACD/IUPAC Name]
4-Nitro-D-(2,3,5,6-2H4)phénylalanine [French] [ACD/IUPAC Name]
D-Phenylalanine-2,3,5,6-d4, 4-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 414.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.2±25.9 °C
Index of Refraction: 1.614
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site


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